6VKX
| Crystal structure of the carbohydrate-binding domain VP8* of human P[8] rotavirus strain BM13851 | Descriptor: | DI(HYDROXYETHYL)ETHER, Outer capsid protein VP4, TETRAETHYLENE GLYCOL | Authors: | Xu, S, McGinnis, K.R, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-01-22 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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4LAK
| Crystal structure of Cordyceps militaris IDCase D323N mutant in apo form | Descriptor: | Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Li, W, Zhu, J, Wang, R, Li, Z, Xu, G.L, Ding, J. | Deposit date: | 2013-06-20 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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4M11
| Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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4X9Z
| Dimeric conotoxin alphaD-GeXXA | Descriptor: | alphaD-conotoxin GeXXA from the venom of Conus generalis | Authors: | Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C. | Deposit date: | 2014-12-12 | Release date: | 2015-12-02 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors Sci Rep, 5, 2015
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1M8T
| Structure of an acidic Phospholipase A2 from the venom of Ophiophagus hannah at 2.1 resolution from a hemihedrally twinned crystal form | Descriptor: | CALCIUM ION, HEXANE-1,6-DIOL, Phospholipase a2 | Authors: | Xu, S, Gu, L, Wang, Q, Shu, Y, Lin, Z. | Deposit date: | 2002-07-26 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a king cobra phospholipase A2 determined from a hemihedrally twinned crystal. Acta Crystallogr.,Sect.D, 59, 2003
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7KHU
| Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 in complex with LNDFH I | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | Deposit date: | 2020-10-22 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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7KI5
| Crystal structure of P[6] rotavirus vp8* in complex with LNT | Descriptor: | Capsid protein, GLYCEROL, TRIETHYLENE GLYCOL, ... | Authors: | Xu, S, Kennedy, M.A. | Deposit date: | 2020-10-23 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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6UT9
| Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 | Descriptor: | Outer capsid protein VP4 | Authors: | Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-10-29 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens. Proc.Natl.Acad.Sci.USA, 118, 2021
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8ET0
| Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | Authors: | Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J. | Deposit date: | 2022-10-15 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9 To Be Published
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6NIW
| Crystal structure of P[6] rotavirus | Descriptor: | DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein | Authors: | Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-01-01 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
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6OAI
| Crystal structure of P[6] rotavirus vp8* complexed with LNFPI | Descriptor: | Protease-sensitive outer capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Xu, S, Liu, Y, Jiang, X, Kennedy, M.A. | Deposit date: | 2019-03-16 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens. Plos Pathog., 16, 2020
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6BL4
| Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2017-11-09 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site. J.Biol.Chem., 294, 2019
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5VPI
| Crystal structure of human KRAS G12A mutant in complex with GTP | Descriptor: | GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-05 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5W22
| Crystal structure of human WT-KRAS in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-06-05 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VPY
| Crystal structure of human KRAS G12A mutant in complex with GppNHp | Descriptor: | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VQ2
| Crystal structure of human WT-KRAS in complex with GTP | Descriptor: | GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-07 | Release date: | 2017-12-06 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VQ8
| Crystal structure of human WT-KRAS in complex with GDP (EDTA soaked) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-08 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VQ0
| Crystal structure of human KRAS G12A mutant in complex with GDP (EDTA soaked) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VQ6
| Crystal structure of human WT-KRAS in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-08 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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4O1Z
| Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J. | Deposit date: | 2013-12-16 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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4M10
| Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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5VQ1
| Crystal structure of human KRAS Q61A mutant in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-07 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VP7
| Crystal structure of human KRAS G12A mutant in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Chen, A, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-04 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VPZ
| Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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4HK6
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